N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C15H20N2O3 — CID 48881758

IUPACN-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1cccc2c1CCN2C(=O)C(=O)NCC(C)CO
InChIInChI=1S/C15H20N2O3/c1-10(9-18)8-16-14(19)15(20)17-7-6-12-11(2)4-3-5-13(12)17/h3-5,10,18H,6-9H2,1-2H3,(H,16,19)
InChIKeyVWMCBZGMRHNCNH-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.63
Rot. Bonds3

About N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 48881758) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID48881758
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1cccc2c1CCN2C(=O)C(=O)NCC(C)CO
InChIInChI=1S/C15H20N2O3/c1-10(9-18)8-16-14(19)15(20)17-7-6-12-11(2)4-3-5-13(12)17/h3-5,10,18H,6-9H2,1-2H3,(H,16,19)
InChIKeyVWMCBZGMRHNCNH-UHFFFAOYSA-N
XLogP0.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 111435729
N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
CID 111444365
2-(4-methyl-2,3-dihydroindol-1-yl)ethanol
CID 131065584
methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75523169
2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(4-hydroxy-2-methylbutyl)-2-oxoacetamide
CID 111491029
1-(4-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanyl-2-phenylethanone
CID 136527235
2-[(3-hydroxy-2-methylpropyl)carbamoyl]benzoic acid
CID 65034048
N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669792
2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 95161347
N-(1-hydroxypropan-2-yl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 110910414
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-methyl-2,3-dihydroindol-1-yl)methanone
CID 71866904
N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 110924001

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 48881758) is N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is Cc1cccc2c1CCN2C(=O)C(=O)NCC(C)CO.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is VWMCBZGMRHNCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(9-18)8-16-14(19)15(20)17-7-6-12-11(2)4-3-5-13(12)17/h3-5,10,18H,6-9H2,1-2H3,(H,16,19).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 276.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 48881758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).